N-[5-[(4-butylphenyl)carbamoylamino]-2-[[5-(4-methylpiperidine-1-carbonyl)furan-2-yl]methyl]-1H-imidazol-4-yl]formamide

C27H34N6O4 — CID 91021438

About N-[5-[(4-butylphenyl)carbamoylamino]-2-[[5-(4-methylpiperidine-1-carbonyl)furan-2-yl]methyl]-1H-imidazol-4-yl]formamide

N-[5-[(4-butylphenyl)carbamoylamino]-2-[[5-(4-methylpiperidine-1-carbonyl)furan-2-yl]methyl]-1H-imidazol-4-yl]formamide (PubChem CID 91021438) has the molecular formula C27H34N6O4 and a molecular weight of 506.61 g/mol. Its IUPAC name is N-[5-[(4-butylphenyl)carbamoylamino]-2-[[5-(4-methylpiperidine-1-carbonyl)furan-2-yl]methyl]-1H-imidazol-4-yl]formamide.

Molecular Properties

• Compound Name: N-[5-[(4-butylphenyl)carbamoylamino]-2-[[5-(4-methylpiperidine-1-carbonyl)furan-2-yl]methyl]-1H-imidazol-4-yl]formamide
• PubChem CID: 91021438
• Molecular Formula: C27H34N6O4
• Molecular Weight: 506.61 g/mol
• Exact Mass: 506.26
• IUPAC Name: N-[5-[(4-butylphenyl)carbamoylamino]-2-[[5-(4-methylpiperidine-1-carbonyl)furan-2-yl]methyl]-1H-imidazol-4-yl]formamide
• SMILES: CCCCc1ccc(NC(=O)Nc2[nH]c(Cc3ccc(C(=O)N4CCC(C)CC4)o3)nc2NC=O)cc1
• InChI: InChI=1S/C27H34N6O4/c1-3-4-5-19-6-8-20(9-7-19)29-27(36)32-25-24(28-17-34)30-23(31-25)16-21-10-11-22(37-21)26(35)33-14-12-18(2)13-15-33/h6-11,17-18H,3-5,12-16H2,1-2H3,(H,28,34)(H,30,31)(H2,29,32,36)
• InChIKey: GZQBWRYYIPADCG-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 132.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.61
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-butylphenyl)carbamoylamino]-2-[[5-(4-methylpiperidine-1-carbonyl)furan-2-yl]methyl]-1H-imidazol-4-yl]formamide?

The IUPAC name of N-[5-[(4-butylphenyl)carbamoylamino]-2-[[5-(4-methylpiperidine-1-carbonyl)furan-2-yl]methyl]-1H-imidazol-4-yl]formamide (CID 91021438) is N-[5-[(4-butylphenyl)carbamoylamino]-2-[[5-(4-methylpiperidine-1-carbonyl)furan-2-yl]methyl]-1H-imidazol-4-yl]formamide.

What is the SMILES notation for N-[5-[(4-butylphenyl)carbamoylamino]-2-[[5-(4-methylpiperidine-1-carbonyl)furan-2-yl]methyl]-1H-imidazol-4-yl]formamide?

The canonical SMILES for N-[5-[(4-butylphenyl)carbamoylamino]-2-[[5-(4-methylpiperidine-1-carbonyl)furan-2-yl]methyl]-1H-imidazol-4-yl]formamide is CCCCc1ccc(NC(=O)Nc2[nH]c(Cc3ccc(C(=O)N4CCC(C)CC4)o3)nc2NC=O)cc1.

What is the InChIKey of N-[5-[(4-butylphenyl)carbamoylamino]-2-[[5-(4-methylpiperidine-1-carbonyl)furan-2-yl]methyl]-1H-imidazol-4-yl]formamide?

The InChIKey is GZQBWRYYIPADCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O4/c1-3-4-5-19-6-8-20(9-7-19)29-27(36)32-25-24(28-17-34)30-23(31-25)16-21-10-11-22(37-21)26(35)33-14-12-18(2)13-15-33/h6-11,17-18H,3-5,12-16H2,1-2H3,(H,28,34)(H,30,31)(H2,29,32,36).

What are the key properties of N-[5-[(4-butylphenyl)carbamoylamino]-2-[[5-(4-methylpiperidine-1-carbonyl)furan-2-yl]methyl]-1H-imidazol-4-yl]formamide?

N-[5-[(4-butylphenyl)carbamoylamino]-2-[[5-(4-methylpiperidine-1-carbonyl)furan-2-yl]methyl]-1H-imidazol-4-yl]formamide has a molecular weight of 506.61 g/mol, XLogP of 5.02, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(4-butylphenyl)carbamoylamino]-2-[[5-(4-methylpiperidine-1-carbonyl)furan-2-yl]methyl]-1H-imidazol-4-yl]formamide is sourced from PubChem (CID 91021438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).